(2-butylphenyl) 2-phenylethyl carbonate

C19H22O3 — CID 118690309

IUPAC(2-butylphenyl) 2-phenylethyl carbonate
SMILESCCCCc1ccccc1OC(=O)OCCc1ccccc1
InChIInChI=1S/C19H22O3/c1-2-3-11-17-12-7-8-13-18(17)22-19(20)21-15-14-16-9-5-4-6-10-16/h4-10,12-13H,2-3,11,14-15H2,1H3
InChIKeyPFGSKFVWOXGORK-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.79
Rot. Bonds7

About (2-butylphenyl) 2-phenylethyl carbonate

(2-butylphenyl) 2-phenylethyl carbonate (PubChem CID 118690309) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2-butylphenyl) 2-phenylethyl carbonate.

Molecular Properties

Compound Name(2-butylphenyl) 2-phenylethyl carbonate
PubChem CID118690309
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2-butylphenyl) 2-phenylethyl carbonate
SMILESCCCCc1ccccc1OC(=O)OCCc1ccccc1
InChIInChI=1S/C19H22O3/c1-2-3-11-17-12-7-8-13-18(17)22-19(20)21-15-14-16-9-5-4-6-10-16/h4-10,12-13H,2-3,11,14-15H2,1H3
InChIKeyPFGSKFVWOXGORK-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-butylphenyl) hexyl carbonate
CID 67178148
4-phenylbutyl (2-propylphenyl) carbonate
CID 67258124
7-phenylheptyl (2-propylphenyl) carbonate
CID 67251381
octyl (2-pentylphenyl) carbonate
CID 67181173
butyl (2-decylphenyl) carbonate
CID 67182932
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
hexyl (2-propylphenyl) carbonate
CID 67179757
(2,3-dipentylphenyl) 4-phenylbutyl carbonate
CID 67260533
ethyl (2-heptylphenyl) carbonate
CID 67181360
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl) 2-phenylethyl carbonate?
The IUPAC name of (2-butylphenyl) 2-phenylethyl carbonate (CID 118690309) is (2-butylphenyl) 2-phenylethyl carbonate.
What is the SMILES notation for (2-butylphenyl) 2-phenylethyl carbonate?
The canonical SMILES for (2-butylphenyl) 2-phenylethyl carbonate is CCCCc1ccccc1OC(=O)OCCc1ccccc1.
What is the InChIKey of (2-butylphenyl) 2-phenylethyl carbonate?
The InChIKey is PFGSKFVWOXGORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-3-11-17-12-7-8-13-18(17)22-19(20)21-15-14-16-9-5-4-6-10-16/h4-10,12-13H,2-3,11,14-15H2,1H3.
What are the key properties of (2-butylphenyl) 2-phenylethyl carbonate?
(2-butylphenyl) 2-phenylethyl carbonate has a molecular weight of 298.38 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl) 2-phenylethyl carbonate is sourced from PubChem (CID 118690309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).